Compile Data Set for Download or QSAR

Found 151 hits with Last Name = 'weinbrenner' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252005 (2-(3-Benzoylamino-phenyl)-2-oxoethyl ethyl trithio...) Show SMILES CCSC(=S)SCC(=O)c1cccc(NC(=O)c2ccccc2)c1 Show InChI InChI=1S/C18H17NO2S3/c1-2-23-18(22)24-12-16(20)14-9-6-10-15(11-14)19-17(21)13-7-4-3-5-8-13/h3-11H,2,12H2,1H3,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells using variable substrate concentration by Lineweaver-Burk plot				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252371 (CHEMBL520279 | Ethyl 2-oxo-2-[1-(phenyl-sulfonyl)-...) Show SMILES CCSC(=S)SCC(=O)c1ccn(c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C15H15NO3S4/c1-2-21-15(20)22-11-14(17)12-8-9-16(10-12)23(18,19)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells using variable substrate concentration by Lineweaver-Burk plot				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50252319 (CHEMBL479602 | Ethyl 2-oxo-2-{5-[(2-Phenoxy-ethylc...) Show SMILES CCSC(=S)SCC(=O)c1ccc(CC(=O)NCCOc2ccccc2)s1 Show InChI InChI=1S/C19H21NO3S4/c1-2-25-19(24)26-13-16(21)17-9-8-15(27-17)12-18(22)20-10-11-23-14-6-4-3-5-7-14/h3-9H,2,10-13H2,1H3,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells using variable substrate concentration by Lineweaver-Burk plot				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50217137 (CHEMBL388710 | Ethyl 2-(4-Methylphenyl)-2-oxoethyl...) Show SMILES CCSC(=S)SCC(=O)c1ccc(C)cc1 Show InChI InChI=1S/C12H14OS3/c1-3-15-12(14)16-8-11(13)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Altana Pharma AG Curated by ChEMBL					Assay Description Inhibition of HDAC1 in HeLa cells				Bioorg Med Chem Lett 17: 4746-52 (2007) Article DOI: 10.1016/j.bmcl.2007.06.063 BindingDB Entry DOI: 10.7270/Q26H4H45
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50217137 (CHEMBL388710 | Ethyl 2-(4-Methylphenyl)-2-oxoethyl...) Show SMILES CCSC(=S)SCC(=O)c1ccc(C)cc1 Show InChI InChI=1S/C12H14OS3/c1-3-15-12(14)16-8-11(13)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells using variable substrate concentration by Lineweaver-Burk plot				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27493 (2-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-1,...) Show SMILES Cc1nc[nH]c1C1CCN(CC1)c1nc2cccc3C(=O)CCn1c23 Show InChI InChI=1S/C19H21N5O/c1-12-17(21-11-20-12)13-5-8-23(9-6-13)19-22-15-4-2-3-14-16(25)7-10-24(19)18(14)15/h2-4,11,13H,5-10H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	7.8	22
University of Konstanz					Assay Description The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...				Mol Pharmacol 74: 1587-98 (2008) Article DOI: 10.1124/mol.108.048751 BindingDB Entry DOI: 10.7270/Q2M61HKG
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27494 (2-[4-(pyridin-2-yl)phenyl]-1,3-diazatricyclo[6.3.1...) Show SMILES O=C1CCn2c(nc3cccc1c23)-c1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C21H15N3O/c25-19-11-13-24-20-16(19)4-3-6-18(20)23-21(24)15-9-7-14(8-10-15)17-5-1-2-12-22-17/h1-10,12H,11,13H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15.4	n/a	n/a	n/a	n/a	7.8	22
University of Konstanz					Assay Description The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...				Mol Pharmacol 74: 1587-98 (2008) Article DOI: 10.1124/mol.108.048751 BindingDB Entry DOI: 10.7270/Q2M61HKG
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50251857 (CHEMBL481297 | N-Ethyl S-2-(4-acetamidophenyl)-2-o...) Show SMILES CCNC(=S)SCC(=O)c1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C13H16N2O2S2/c1-3-14-13(18)19-8-12(17)10-4-6-11(7-5-10)15-9(2)16/h4-7H,3,8H2,1-2H3,(H,14,18)(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27497 (2-(dimethylamino)-N-(6-oxo-5,6-dihydrophenanthridi...) Show SMILES CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1 Show InChI InChI=1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	7.8	22
University of Konstanz					Assay Description The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...				Mol Pharmacol 74: 1587-98 (2008) Article DOI: 10.1124/mol.108.048751 BindingDB Entry DOI: 10.7270/Q2M61HKG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Mus musculus (Mouse))	BDBM27493 (2-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-1,...) Show SMILES Cc1nc[nH]c1C1CCN(CC1)c1nc2cccc3C(=O)CCn1c23 Show InChI InChI=1S/C19H21N5O/c1-12-17(21-11-20-12)13-5-8-23(9-6-13)19-22-15-4-2-3-14-16(25)7-10-24(19)18(14)15/h2-4,11,13H,5-10H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.8	22
University of Konstanz					Assay Description The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...				Mol Pharmacol 74: 1587-98 (2008) Article DOI: 10.1124/mol.108.048751 BindingDB Entry DOI: 10.7270/Q2M61HKG
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27498 (10-amino-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13...) Show SMILES Nc1ccc2C(=O)NC(=O)c3cccc1c23 Show InChI InChI=1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	7.8	22
University of Konstanz					Assay Description The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...				Mol Pharmacol 74: 1587-98 (2008) Article DOI: 10.1124/mol.108.048751 BindingDB Entry DOI: 10.7270/Q2M61HKG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252671 (2-(4-Acetamidophenyl)-2-oxoethyl dithiopropionate ...) Show SMILES CCCC(=S)SCC(=O)c1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C14H17NO2S2/c1-3-4-14(18)19-9-13(17)11-5-7-12(8-6-11)15-10(2)16/h5-8H,3-4,9H2,1-2H3,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Mus musculus (Mouse))	BDBM27494 (2-[4-(pyridin-2-yl)phenyl]-1,3-diazatricyclo[6.3.1...) Show SMILES O=C1CCn2c(nc3cccc1c23)-c1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C21H15N3O/c25-19-11-13-24-20-16(19)4-3-6-18(20)23-21(24)15-9-7-14(8-10-15)17-5-1-2-12-22-17/h1-10,12H,11,13H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	7.8	22
University of Konstanz					Assay Description The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...				Mol Pharmacol 74: 1587-98 (2008) Article DOI: 10.1124/mol.108.048751 BindingDB Entry DOI: 10.7270/Q2M61HKG
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Mus musculus (Mouse))	BDBM27498 (10-amino-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13...) Show SMILES Nc1ccc2C(=O)NC(=O)c3cccc1c23 Show InChI InChI=1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	7.8	22
University of Konstanz					Assay Description The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...				Mol Pharmacol 74: 1587-98 (2008) Article DOI: 10.1124/mol.108.048751 BindingDB Entry DOI: 10.7270/Q2M61HKG
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252056 (CHEMBL519134 | Ethyl 2-oxo-2-{3-[(pyridine-3-carbo...) Show SMILES CCSC(=S)SCC(=O)c1cccc(NC(=O)c2cccnc2)c1 Show InChI InChI=1S/C17H16N2O2S3/c1-2-23-17(22)24-11-15(20)12-5-3-7-14(9-12)19-16(21)13-6-4-8-18-10-13/h3-10H,2,11H2,1H3,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252321 (2-(5-(5-Amino-pyrid-2-yl)-thieno-2-yl)-2-oxoethyl ...) Show SMILES CCSC(=S)SCC(=O)c1ccc(s1)-c1ccc(N)cn1 Show InChI InChI=1S/C14H14N2OS4/c1-2-19-14(18)20-8-11(17)13-6-5-12(21-13)10-4-3-9(15)7-16-10/h3-7H,2,8,15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252208 (2-(5-Benzylcarbamoyl-thiophen-2-yl)-2-oxoethyl eth...) Show SMILES CCSC(=S)SCC(=O)c1ccc(s1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C17H17NO2S4/c1-2-22-17(21)23-11-13(19)14-8-9-15(24-14)16(20)18-10-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27496 ((4Z)-4-[(1-methyl-1H-pyrrol-2-yl)methylidene]-1,2,...) Show SMILES Cn1cccc1\C=C1/C(=O)NC(=O)c2ccccc12 Show InChI InChI=1S/C15H12N2O2/c1-17-8-4-5-10(17)9-13-11-6-2-3-7-12(11)14(18)16-15(13)19/h2-9H,1H3,(H,16,18,19)/b13-9-	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	7.8	22
University of Konstanz					Assay Description The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...				Mol Pharmacol 74: 1587-98 (2008) Article DOI: 10.1124/mol.108.048751 BindingDB Entry DOI: 10.7270/Q2M61HKG
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Mus musculus (Mouse))	BDBM27497 (2-(dimethylamino)-N-(6-oxo-5,6-dihydrophenanthridi...) Show SMILES CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1 Show InChI InChI=1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	7.8	22
University of Konstanz					Assay Description The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...				Mol Pharmacol 74: 1587-98 (2008) Article DOI: 10.1124/mol.108.048751 BindingDB Entry DOI: 10.7270/Q2M61HKG
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252005 (2-(3-Benzoylamino-phenyl)-2-oxoethyl ethyl trithio...) Show SMILES CCSC(=S)SCC(=O)c1cccc(NC(=O)c2ccccc2)c1 Show InChI InChI=1S/C18H17NO2S3/c1-2-23-18(22)24-12-16(20)14-9-6-10-15(11-14)19-17(21)13-7-4-3-5-8-13/h3-11H,2,12H2,1H3,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27499 (1,11b-dihydro-[2H]benzopyrano[4,3,2-de]isoquinolin...) Show SMILES O=C1NCC2c3ccccc3Oc3cccc1c23 Show InChI InChI=1S/C15H11NO2/c17-15-10-5-3-7-13-14(10)11(8-16-15)9-4-1-2-6-12(9)18-13/h1-7,11H,8H2,(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	7.8	22
University of Konstanz					Assay Description The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...				Mol Pharmacol 74: 1587-98 (2008) Article DOI: 10.1124/mol.108.048751 BindingDB Entry DOI: 10.7270/Q2M61HKG
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27500 (5,6-dihydrophenanthridin-6-one | 5H-Phenanthridin-...) Show SMILES O=c1[nH]c2ccccc2c2ccccc12 Show InChI InChI=1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	7.8	22
University of Konstanz					Assay Description The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...				Mol Pharmacol 74: 1587-98 (2008) Article DOI: 10.1124/mol.108.048751 BindingDB Entry DOI: 10.7270/Q2M61HKG
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252058 (CHEMBL482096 | Ethyl 2-oxo-2-{3-[(quinoline-3-carb...) Show SMILES CCSC(=S)SCC(=O)c1cccc(NC(=O)c2cnc3ccccc3c2)c1 Show InChI InChI=1S/C21H18N2O2S3/c1-2-27-21(26)28-13-19(24)15-7-5-8-17(11-15)23-20(25)16-10-14-6-3-4-9-18(14)22-12-16/h3-12H,2,13H2,1H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50251856 (CHEMBL481136 | O-Ethyl S-2-(4-Acetamido-phenyl)-2-...) Show SMILES CCOC(=S)SCC(=O)c1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C13H15NO3S2/c1-3-17-13(18)19-8-12(16)10-4-6-11(7-5-10)14-9(2)15/h4-7H,3,8H2,1-2H3,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252620 (CHEMBL487615 | N-Ethyl S-2-(4-Methoxy-phenyl)-2-ox...) Show SMILES CCNC(=S)SCC(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C12H15NO2S2/c1-3-13-12(16)17-8-11(14)9-4-6-10(15-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,13,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252562 (2-[4-(2-Acetylamino-ethyl)-phenyl]-2-oxoethyl ethy...) Show SMILES CCSC(=S)SCC(=O)c1ccc(CCNC(C)=O)cc1 Show InChI InChI=1S/C15H19NO2S3/c1-3-20-15(19)21-10-14(18)13-6-4-12(5-7-13)8-9-16-11(2)17/h4-7H,3,8-10H2,1-2H3,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252007 (2-(3-Benzenesulfonylamino-phenyl)-2-oxoethyl ethyl...) Show SMILES CCSC(=S)SCC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C17H17NO3S4/c1-2-23-17(22)24-12-16(19)13-7-6-8-14(11-13)18-25(20,21)15-9-4-3-5-10-15/h3-11,18H,2,12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252618 (2-(4-Methoxyphenyl)-2-oxoethyl Dithiobutyrate | CH...) Show SMILES CCCC(=S)SCC(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C13H16O2S2/c1-3-4-13(16)17-9-12(14)10-5-7-11(15-2)8-6-10/h5-8H,3-4,9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252318 (CHEMBL479601 | ethyl 2-(5-(2-(4-methoxyphenylamino...) Show SMILES CCSC(=S)SCC(=O)c1ccc(CC(=O)Nc2ccc(OC)cc2)s1 Show InChI InChI=1S/C18H19NO3S4/c1-3-24-18(23)25-11-15(20)16-9-8-14(26-16)10-17(21)19-12-4-6-13(22-2)7-5-12/h4-9H,3,10-11H2,1-2H3,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252372 (CHEMBL482075 | Ethyl 2-oxo-2-{4-[(quinoline-3-carb...) Show SMILES CCSC(=S)SCC(=O)c1ccc(NC(=O)c2cnc3ccccc3c2)cc1 Show InChI InChI=1S/C21H18N2O2S3/c1-2-27-21(26)28-13-19(24)14-7-9-17(10-8-14)23-20(25)16-11-15-5-3-4-6-18(15)22-12-16/h3-12H,2,13H2,1H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252667 (CHEMBL471044 | N-Ethyl S-2-(4-methoxy-phenyl)-2-ox...) Show SMILES CCNC(=O)SCC(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C12H15NO3S/c1-3-13-12(15)17-8-11(14)9-4-6-10(16-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,13,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252247 (CHEMBL517997 | Ethyl 2-oxo-2-[5-((S)-1-phenyl-ethy...) Show SMILES CCSC(=S)SCC(=O)c1ccc(s1)C(=O)N[C@@H](C)c1ccccc1 |r| Show InChI InChI=1S/C18H19NO2S4/c1-3-23-18(22)24-11-14(20)15-9-10-16(25-15)17(21)19-12(2)13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3,(H,19,21)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50251857 (CHEMBL481297 | N-Ethyl S-2-(4-acetamidophenyl)-2-o...) Show SMILES CCNC(=S)SCC(=O)c1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C13H16N2O2S2/c1-3-14-13(18)19-8-12(17)10-4-6-11(7-5-10)15-9(2)16/h4-7H,3,8H2,1-2H3,(H,14,18)(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27501 (1,5-dihydroxyisoquinoline | CHEMBL338314 | ISQ | i...) Show SMILES Oc1cccc2c1cc[nH]c2=O Show InChI InChI=1S/C9H7NO2/c11-8-3-1-2-7-6(8)4-5-10-9(7)12/h1-5,11H,(H,10,12)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	7.8	22
University of Konstanz					Assay Description The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...				Mol Pharmacol 74: 1587-98 (2008) Article DOI: 10.1124/mol.108.048751 BindingDB Entry DOI: 10.7270/Q2M61HKG
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50252671 (2-(4-Acetamidophenyl)-2-oxoethyl dithiopropionate ...) Show SMILES CCCC(=S)SCC(=O)c1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C14H17NO2S2/c1-3-4-14(18)19-9-13(17)11-5-7-12(8-6-11)15-10(2)16/h5-8H,3-4,9H2,1-2H3,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	164	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252248 (CHEMBL510856 | Ethyl 2-oxo-2-[5-((R)-1-Phenyl-ethy...) Show SMILES CCCSC(=S)SCC(=O)c1ccc(s1)C(=O)N[C@H](C)c1ccccc1 |r| Show InChI InChI=1S/C19H21NO2S4/c1-3-11-24-19(23)25-12-15(21)16-9-10-17(26-16)18(22)20-13(2)14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,20,22)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	165	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252006 (CHEMBL482280 | Ethyl 2-oxo-2{-[(1-phenyl-methanoyl...) Show SMILES CCSC(=S)SCC(=O)c1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C18H17NO2S3/c1-2-23-18(22)24-12-16(20)13-8-10-15(11-9-13)19-17(21)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	175	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252317 (2-[5-(4-Methoxy-benzylcarbamoyl-methyl)-thiophen-2...) Show SMILES CCSC(=S)SCC(=O)c1ccc(CC(=O)NCc2ccc(OC)cc2)s1 Show InChI InChI=1S/C19H21NO3S4/c1-3-25-19(24)26-12-16(21)17-9-8-15(27-17)10-18(22)20-11-13-4-6-14(23-2)7-5-13/h4-9H,3,10-12H2,1-2H3,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	175	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50241190 (2-(4-Acetylamino-phenyl)-2-oxoethyl Ethyl Trithioc...) Show SMILES CCSC(=S)SCC(=O)c1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C13H15NO2S3/c1-3-18-13(17)19-8-12(16)10-4-6-11(7-5-10)14-9(2)15/h4-7H,3,8H2,1-2H3,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252206 (2-[3-(3-Aminocarbonyl-phenylsulfamoyl)-phenyl]-2-o...) Show SMILES CCSC(=S)SCC(=O)c1cccc(c1)S(=O)(=O)Nc1cccc(c1)C(N)=O Show InChI InChI=1S/C18H18N2O4S4/c1-2-26-18(25)27-11-16(21)12-5-4-8-15(10-12)28(23,24)20-14-7-3-6-13(9-14)17(19)22/h3-10,20H,2,11H2,1H3,(H2,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	181	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Mus musculus (Mouse))	BDBM27499 (1,11b-dihydro-[2H]benzopyrano[4,3,2-de]isoquinolin...) Show SMILES O=C1NCC2c3ccccc3Oc3cccc1c23 Show InChI InChI=1S/C15H11NO2/c17-15-10-5-3-7-13-14(10)11(8-16-15)9-4-1-2-6-12(9)18-13/h1-7,11H,8H2,(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	186	n/a	n/a	n/a	n/a	7.8	22
University of Konstanz					Assay Description The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...				Mol Pharmacol 74: 1587-98 (2008) Article DOI: 10.1124/mol.108.048751 BindingDB Entry DOI: 10.7270/Q2M61HKG
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252059 (2-(3-Benzylcarbamoyl-phenyl)-2-oxoethyl Ethyl Trit...) Show SMILES CCSC(=S)SCC(=O)c1cccc(c1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C19H19NO2S3/c1-2-24-19(23)25-13-17(21)15-9-6-10-16(11-15)18(22)20-12-14-7-4-3-5-8-14/h3-11H,2,12-13H2,1H3,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252107 (CHEMBL482272 | Ethyl 2-oxo-2-[3-(2-phenoxy-ethylca...) Show SMILES CCSC(=S)SCC(=O)c1cccc(c1)C(=O)NCCOc1ccccc1 Show InChI InChI=1S/C20H21NO3S3/c1-2-26-20(25)27-14-18(22)15-7-6-8-16(13-15)19(23)21-11-12-24-17-9-4-3-5-10-17/h3-10,13H,2,11-12,14H2,1H3,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	198	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252319 (CHEMBL479602 | Ethyl 2-oxo-2-{5-[(2-Phenoxy-ethylc...) Show SMILES CCSC(=S)SCC(=O)c1ccc(CC(=O)NCCOc2ccccc2)s1 Show InChI InChI=1S/C19H21NO3S4/c1-2-25-19(24)26-13-16(21)17-9-8-15(27-17)12-18(22)20-10-11-23-14-6-4-3-5-7-14/h3-9H,2,10-13H2,1H3,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	204	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50252620 (CHEMBL487615 | N-Ethyl S-2-(4-Methoxy-phenyl)-2-ox...) Show SMILES CCNC(=S)SCC(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C12H15NO2S2/c1-3-13-12(16)17-8-11(14)9-4-6-10(15-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,13,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	215	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50252162 (CHEMBL518961 | Ethyl 2-[4-(4-methoxy-phenylsulfamo...) Show SMILES CCSC(=S)SCC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(OC)cc1 Show InChI InChI=1S/C18H19NO4S4/c1-3-25-18(24)26-12-17(20)13-4-10-16(11-5-13)27(21,22)19-14-6-8-15(23-2)9-7-14/h4-11,19H,3,12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	227	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252250 (CHEMBL479970 | Ethyl 2-oxo-2-(5-phenylcarbamoyl-th...) Show SMILES CCSC(=S)SCC(=O)c1ccc(s1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C16H15NO2S4/c1-2-21-16(20)22-10-12(18)13-8-9-14(23-13)15(19)17-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	245	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50252162 (CHEMBL518961 | Ethyl 2-[4-(4-methoxy-phenylsulfamo...) Show SMILES CCSC(=S)SCC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(OC)cc1 Show InChI InChI=1S/C18H19NO4S4/c1-3-25-18(24)26-12-17(20)13-4-10-16(11-5-13)27(21,22)19-14-6-8-15(23-2)9-7-14/h4-11,19H,3,12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	245	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in HEK293 cells				J Med Chem 51: 3985-4001 (2008) Article DOI: 10.1021/jm800093c BindingDB Entry DOI: 10.7270/Q29886S0
					More data for this Ligand-Target Pair

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